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1,3,5-Cycloheptatriene, 7-(phenylsulfonyl)-
SpectraBase Compound ID 7DdXHfRX10x
InChI InChI=1S/C13H12O2S/c14-16(15,13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h1-12H
InChIKey DBGRSULVQQMKJZ-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C13H12O2S
Exact Mass 232.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8pyNGAISjP
Name 1,3,5-Cycloheptatriene, 7-(phenylsulfonyl)-
CAS Registry Number 4359-18-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H12O2S
InChI InChI=1S/C13H12O2S/c14-16(15,13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h1-12H
InChIKey DBGRSULVQQMKJZ-UHFFFAOYSA-N
Molecular Weight 232.297 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)C=CC=CC=C1
SPLASH splash10-0006-9000000000-a25411458357cddaf6ca
Source of Spectrum KC-1987-715-3
Synonyms Sulfone, 2,4,6-cycloheptatrien-1-yl phenyl 2,4,6-cycloheptatrien-1-yl phenyl sulfone 7-(phenylsulfonyl)-1,3,5-cycloheptatriene Arylsulphonylcycloheptatriene
Wiley ID 1233696